N1-(3-chloranyl-2-methyl-phenyl)-4-oxidanyl-N3-(2-piperidin-1-ylethyl)benzene-1,3-disulfonamide

Systemtic Name: N1-(3-chloranyl-2-methyl-phenyl)-4-oxidanyl-N3-(2-piperidin-1-ylethyl)benzene-1,3-disulfonamide Openeye Name: N1-(3-chloro-2-methyl-phenyl)-4-hydroxy-N3-[2-(1-piperidyl)ethyl]benzene-1,3-disulfonamide CAS Name: N1-(3-chloro-2-methylphenyl)-4-hydroxy-N3-[2-(1-piperidinyl)ethyl]benzene-1,3-disulfonamide IUPAC Name: 1-N-(3-chloro-2-methylphenyl)-4-hydroxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-disulfonamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-hydroxy-N'-(2-piperidinoethyl)benzene-1,3-disulfonamide Formula: C20H26ClN3O5S2 MolecularWeight: 488.02054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=CC(=C(C=C2)O)S(=O)(=O)NCCN3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=CC(=C(C=C2)O)S(=O)(=O)NCCN3CCCCC3

InChI

InChI=1S/C20H26ClN3O5S2/c1-15-17(21)6-5-7-18(15)23-30(26,27)16-8-9-19(25)20(14-16)31(28,29)22-10-13-24-11-3-2-4-12-24/h5-9,14,22-23,25H,2-4,10-13H2,1H3